- InChI
- InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3
- InChI Key
- GIBPFTYFAOOKOV-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(C(C)C)C(C)C
- Molecular Weight1
- 112.21
- CAS
- 111823-35-9
- Other Names
-
- 2-Isopropyl-3-methylbut-1-ene
- 3-methyl-2-(1-methylethyl)-1-butene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 90.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Inp | [708.50; 721.00] |
|
|
| Inp | 720.30 | NIST | |
| Inp | 709.30 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 708.50 | NIST | |
| Inp | 710.50 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 720.30 | NIST | |
| Tboil | 378.12 | K | Joback Calculated Property |
| Tc | 556.32 | K | Joback Calculated Property |
| Tfus | 134.20 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.46; 290.40] | J/mol×K | [378.12; 556.32] |
|
| Cp,gas | 217.46 | J/mol×K | 378.12 | Joback Calculated Property |
| Cp,gas | 230.96 | J/mol×K | 407.82 | Joback Calculated Property |
| Cp,gas | 243.91 | J/mol×K | 437.52 | Joback Calculated Property |
| Cp,gas | 256.31 | J/mol×K | 467.22 | Joback Calculated Property |
| Cp,gas | 268.18 | J/mol×K | 496.92 | Joback Calculated Property |
| Cp,gas | 279.54 | J/mol×K | 526.62 | Joback Calculated Property |
| Cp,gas | 290.40 | J/mol×K | 556.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3-methyl-2-(1-methylethyl).
Sources
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